1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-(4-benzylsulfonylpiperazino)-4-(2-thienyl)butane-1,4-dione Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)C2=CC=CS2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)C2=CC=CS2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S2/c22-17(18-7-4-14-26-18)8-9-19(23)20-10-12-21(13-11-20)27(24,25)15-16-5-2-1-3-6-16/h1-7,14H,8-13,15H2